N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide

C14H30N2O — CID 43372144

IUPACN-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NC(C)CC(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)7-8-15-14(17)13(6)16-12(5)9-11(3)4/h10-13,16H,7-9H2,1-6H3,(H,15,17)
InChIKeyGMLRFKPVVQCVQG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.56
Rot. Bonds8

About N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide

N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide (PubChem CID 43372144) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
PubChem CID43372144
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NC(C)CC(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)7-8-15-14(17)13(6)16-12(5)9-11(3)4/h10-13,16H,7-9H2,1-6H3,(H,15,17)
InChIKeyGMLRFKPVVQCVQG-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 82937505
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 61247605
(2R)-N-methyl-2-(4-methylpentan-2-ylamino)propanamide
CID 103932028
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145
N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
CID 43372165
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
CID 43723692
1,3-bis(3-methylbutyl)urea
CID 22563958
2-hydrazinyl-4-methyl-N-(3-methylbutyl)pentanamide
CID 166800182
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide (CID 43372144) is N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide is CC(C)CCNC(=O)C(C)NC(C)CC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide?
The InChIKey is GMLRFKPVVQCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-10(2)7-8-15-14(17)13(6)16-12(5)9-11(3)4/h10-13,16H,7-9H2,1-6H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide?
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide is sourced from PubChem (CID 43372144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).