3-formamido-N-(3-methylpentyl)-N-propylpropanamide

C13H26N2O2 — CID 177056535

IUPAC3-formamido-N-(3-methylpentyl)-N-propylpropanamide
SMILESCCCN(CCC(C)CC)C(=O)CCNC=O
InChIInChI=1S/C13H26N2O2/c1-4-9-15(10-7-12(3)5-2)13(17)6-8-14-11-16/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyUYMKBEYGAGOWKV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.80
Rot. Bonds10

About 3-formamido-N-(3-methylpentyl)-N-propylpropanamide

3-formamido-N-(3-methylpentyl)-N-propylpropanamide (PubChem CID 177056535) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-formamido-N-(3-methylpentyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-formamido-N-(3-methylpentyl)-N-propylpropanamide
PubChem CID177056535
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-formamido-N-(3-methylpentyl)-N-propylpropanamide
SMILESCCCN(CCC(C)CC)C(=O)CCNC=O
InChIInChI=1S/C13H26N2O2/c1-4-9-15(10-7-12(3)5-2)13(17)6-8-14-11-16/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyUYMKBEYGAGOWKV-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
CID 146341512
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
6-chloro-3-ethyl-2-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one;ethane;3-formamido-N-(3-methylpentyl)-N-propylpropanamide
CID 177056534
butane;N-(3-methylheptyl)formamide;phosphoric acid
CID 175488083
(5S)-5-methyl-N-[(3R)-3-methyl-4-oxo-4-[[(2R)-1-phenylpropan-2-yl]amino]butyl]-N-propylheptanamide
CID 167496660
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
3-(benzylamino)-N,N-dipropylpropanamide
CID 109018966
3-[butyl(methyl)amino]-N,N-dipropylpropanamide
CID 109032448
3-(tert-butylamino)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 60945491
N-[3-[methyl(2-methylpentyl)amino]propyl]formamide
CID 123854882
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-(2-formamidoethyl)-N-[3-[[2-methyl-3-(methylamino)propyl]-nonylamino]propyl]acetamide
CID 168924630
2-[2-[di(nonyl)amino]ethyl-nonylamino]-N-[3-[di(tetradecyl)amino]propyl]-N-(2-formamidoethyl)acetamide
CID 176570859

Frequently Asked Questions

What is the IUPAC name of 3-formamido-N-(3-methylpentyl)-N-propylpropanamide?
The IUPAC name of 3-formamido-N-(3-methylpentyl)-N-propylpropanamide (CID 177056535) is 3-formamido-N-(3-methylpentyl)-N-propylpropanamide.
What is the SMILES notation for 3-formamido-N-(3-methylpentyl)-N-propylpropanamide?
The canonical SMILES for 3-formamido-N-(3-methylpentyl)-N-propylpropanamide is CCCN(CCC(C)CC)C(=O)CCNC=O.
What is the InChIKey of 3-formamido-N-(3-methylpentyl)-N-propylpropanamide?
The InChIKey is UYMKBEYGAGOWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-9-15(10-7-12(3)5-2)13(17)6-8-14-11-16/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-formamido-N-(3-methylpentyl)-N-propylpropanamide?
3-formamido-N-(3-methylpentyl)-N-propylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-N-(3-methylpentyl)-N-propylpropanamide is sourced from PubChem (CID 177056535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).