N-butyl-2-(heptan-2-ylamino)propanamide

C14H30N2O — CID 54950626

IUPACN-butyl-2-(heptan-2-ylamino)propanamide
SMILESCCCCCC(C)NC(C)C(=O)NCCCC
InChIInChI=1S/C14H30N2O/c1-5-7-9-10-12(3)16-13(4)14(17)15-11-8-6-2/h12-13,16H,5-11H2,1-4H3,(H,15,17)
InChIKeyNVSGPRPCLCQWNQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.85
Rot. Bonds10

About N-butyl-2-(heptan-2-ylamino)propanamide

N-butyl-2-(heptan-2-ylamino)propanamide (PubChem CID 54950626) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-butyl-2-(heptan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(heptan-2-ylamino)propanamide
PubChem CID54950626
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-butyl-2-(heptan-2-ylamino)propanamide
SMILESCCCCCC(C)NC(C)C(=O)NCCCC
InChIInChI=1S/C14H30N2O/c1-5-7-9-10-12(3)16-13(4)14(17)15-11-8-6-2/h12-13,16H,5-11H2,1-4H3,(H,15,17)
InChIKeyNVSGPRPCLCQWNQ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
2-(nonan-2-ylamino)propanoic acid
CID 61499682
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
2-(pent-4-en-2-ylamino)-N-pentylpropanamide
CID 115632132
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(heptan-2-ylamino)propanamide?
The IUPAC name of N-butyl-2-(heptan-2-ylamino)propanamide (CID 54950626) is N-butyl-2-(heptan-2-ylamino)propanamide.
What is the SMILES notation for N-butyl-2-(heptan-2-ylamino)propanamide?
The canonical SMILES for N-butyl-2-(heptan-2-ylamino)propanamide is CCCCCC(C)NC(C)C(=O)NCCCC.
What is the InChIKey of N-butyl-2-(heptan-2-ylamino)propanamide?
The InChIKey is NVSGPRPCLCQWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-7-9-10-12(3)16-13(4)14(17)15-11-8-6-2/h12-13,16H,5-11H2,1-4H3,(H,15,17).
What are the key properties of N-butyl-2-(heptan-2-ylamino)propanamide?
N-butyl-2-(heptan-2-ylamino)propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(heptan-2-ylamino)propanamide is sourced from PubChem (CID 54950626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).