N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide

C21H35N5O2 — CID 111383227

IUPACN-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-5-22-20(24-16-19(27)25-21(2,3)4)23-15-18(17-9-7-6-8-10-17)26-11-13-28-14-12-26/h6-10,18H,5,11-16H2,1-4H3,(H,25,27)(H2,22,23,24)
InChIKeyRYVPYBBPQQOEMV-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.53
Rot. Bonds7

About N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide (PubChem CID 111383227) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide
PubChem CID111383227
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H35N5O2/c1-5-22-20(24-16-19(27)25-21(2,3)4)23-15-18(17-9-7-6-8-10-17)26-11-13-28-14-12-26/h6-10,18H,5,11-16H2,1-4H3,(H,25,27)(H2,22,23,24)
InChIKeyRYVPYBBPQQOEMV-UHFFFAOYSA-N
XLogP1.53
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385487
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
1-tert-butyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 110965014
N-ethyl-2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]acetamide;hydroiodide
CID 111309369
N-tert-butyl-2-[[[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111383632
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111309840
N-tert-butyl-2-[[ethylamino-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide
CID 111384195
2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365881
N-tert-butyl-2-[[ethylamino-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]amino]acetamide;hydroiodide
CID 111323291
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111309755
N-cyclohexyl-2-[[ethylamino-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111326708
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111310060

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide (CID 111383227) is N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide?
The InChIKey is RYVPYBBPQQOEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-5-22-20(24-16-19(27)25-21(2,3)4)23-15-18(17-9-7-6-8-10-17)26-11-13-28-14-12-26/h6-10,18H,5,11-16H2,1-4H3,(H,25,27)(H2,22,23,24).
What are the key properties of N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide has a molecular weight of 389.54 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 111383227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).