N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

C19H37N5O2 — CID 111992645

IUPACN-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)(C)C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H37N5O2/c1-7-20-18(22-11-10-21-17(26)19(4,5)6)23-15-8-12-24(13-9-15)16(25)14(2)3/h14-15H,7-13H2,1-6H3,(H,21,26)(H2,20,22,23)
InChIKeyMACGOJWORRPVJQ-UHFFFAOYSA-N
MW367.54 g/mol
LogP1.35
Rot. Bonds6

About N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 111992645) has the molecular formula C19H37N5O2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID111992645
Molecular FormulaC19H37N5O2
Molecular Weight367.54 g/mol
Exact Mass367.29
IUPAC NameN-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CCNC(=O)C(C)(C)C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H37N5O2/c1-7-20-18(22-11-10-21-17(26)19(4,5)6)23-15-8-12-24(13-9-15)16(25)14(2)3/h14-15H,7-13H2,1-6H3,(H,21,26)(H2,20,22,23)
InChIKeyMACGOJWORRPVJQ-UHFFFAOYSA-N
XLogP1.35
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110988783
N-[2-[[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111992127
N-[2-[[[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111993973
N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111995663
2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-[1-(2-methylpropanoyl)piperidin-4-yl]guanidine
CID 111977982
N-[2-[[ethylamino-[[4-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111992352
N-[2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111918757
N-[2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110986633
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111994685
ethyl 4-[[N-ethyl-N'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329212
N-[2-[[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111992910
N-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111318903

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (CID 111992645) is N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is CCN/C(=N\CCNC(=O)C(C)(C)C)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is MACGOJWORRPVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O2/c1-7-20-18(22-11-10-21-17(26)19(4,5)6)23-15-8-12-24(13-9-15)16(25)14(2)3/h14-15H,7-13H2,1-6H3,(H,21,26)(H2,20,22,23).
What are the key properties of N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 367.54 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111992645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).