N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

C21H28N2O — CID 84567191

IUPACN-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESCCCCNC(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C21H28N2O/c1-2-3-14-22-21(24)13-15-23(19-11-12-19)16-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,19H,2-3,11-16H2,1H3,(H,22,24)
InChIKeyNSKHAMBGYPVDEG-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.11
Rot. Bonds9

About N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (PubChem CID 84567191) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
PubChem CID84567191
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESCCCCNC(=O)CCN(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C21H28N2O/c1-2-3-14-22-21(24)13-15-23(19-11-12-19)16-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,19H,2-3,11-16H2,1H3,(H,22,24)
InChIKeyNSKHAMBGYPVDEG-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 84567261
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 84567683
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 84567681
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003
5-amino-2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-oxopentanoic acid
CID 84567246
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568214

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The IUPAC name of N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (CID 84567191) is N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.
What is the SMILES notation for N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The canonical SMILES for N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is CCCCNC(=O)CCN(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The InChIKey is NSKHAMBGYPVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-2-3-14-22-21(24)13-15-23(19-11-12-19)16-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,19H,2-3,11-16H2,1H3,(H,22,24).
What are the key properties of N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is sourced from PubChem (CID 84567191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).