N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide

C15H21N3O2 — CID 79394044

IUPACN-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(NC(=O)CNCCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-2-4-12(5-3-11)18-15(20)10-16-9-8-14(19)17-13-6-7-13/h2-5,13,16H,6-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyAMMGCQFYSORKJJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.19
Rot. Bonds7

About N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide

N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 79394044) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
PubChem CID79394044
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1ccc(NC(=O)CNCCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-2-4-12(5-3-11)18-15(20)10-16-9-8-14(19)17-13-6-7-13/h2-5,13,16H,6-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyAMMGCQFYSORKJJ-UHFFFAOYSA-N
XLogP1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.19
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

N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115571750
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
2-[(4-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 28579743
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816
N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 79394119

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide (CID 79394044) is N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide is Cc1ccc(NC(=O)CNCCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is AMMGCQFYSORKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-2-4-12(5-3-11)18-15(20)10-16-9-8-14(19)17-13-6-7-13/h2-5,13,16H,6-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide?
N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 79394044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).