N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide

C16H23N3O2 — CID 60966595

IUPACN-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-3-5-13(6-4-11)16(21)18-10-9-17-12(2)15(20)19-14-7-8-14/h3-6,12,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyBUIWLMDJCQQFMY-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.98
Rot. Bonds7

About N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide

N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide (PubChem CID 60966595) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
PubChem CID60966595
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-3-5-13(6-4-11)16(21)18-10-9-17-12(2)15(20)19-14-7-8-14/h3-6,12,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyBUIWLMDJCQQFMY-UHFFFAOYSA-N
XLogP0.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.98
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-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide
CID 95131340
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
CID 64920352
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-[2-(but-3-en-2-ylamino)ethyl]-4-methylbenzamide
CID 114014543
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
N-[2-(1-cyanopropan-2-ylamino)ethyl]-4-methylbenzamide
CID 54880724

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide (CID 60966595) is N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide?
The InChIKey is BUIWLMDJCQQFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-3-5-13(6-4-11)16(21)18-10-9-17-12(2)15(20)19-14-7-8-14/h3-6,12,14,17H,7-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide?
N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 60966595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).