N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide

C16H25N3O2 — CID 60966159

IUPACN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-12-5-7-13(8-6-12)15(21)18-10-9-17-11-14(20)19-16(2,3)4/h5-8,17H,9-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZEAPXAREMLZECJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.23
Rot. Bonds6

About N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide

N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide (PubChem CID 60966159) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
PubChem CID60966159
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-12-5-7-13(8-6-12)15(21)18-10-9-17-11-14(20)19-16(2,3)4/h5-8,17H,9-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZEAPXAREMLZECJ-UHFFFAOYSA-N
XLogP1.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966022
N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide
CID 106437521
N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
CID 114492848
2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoic acid
CID 104644042
N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 170027016
methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 104644043
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide (CID 60966159) is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is ZEAPXAREMLZECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-7-13(8-6-12)15(21)18-10-9-17-11-14(20)19-16(2,3)4/h5-8,17H,9-11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 60966159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).