N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide

C15H32N2O — CID 60719517

IUPACN-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
SMILESCCC(C)NC(=O)C(C)NC(C)CCCC(C)C
InChIInChI=1S/C15H32N2O/c1-7-12(4)17-15(18)14(6)16-13(5)10-8-9-11(2)3/h11-14,16H,7-10H2,1-6H3,(H,17,18)
InChIKeyZBTLFIUZRBKPJN-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.09
Rot. Bonds9

About N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide

N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide (PubChem CID 60719517) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
PubChem CID60719517
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
SMILESCCC(C)NC(=O)C(C)NC(C)CCCC(C)C
InChIInChI=1S/C15H32N2O/c1-7-12(4)17-15(18)14(6)16-13(5)10-8-9-11(2)3/h11-14,16H,7-10H2,1-6H3,(H,17,18)
InChIKeyZBTLFIUZRBKPJN-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 92660565
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide
CID 114416657
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 115899230
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-(6-methylheptan-2-yl)butanamide
CID 60644759
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide?
The IUPAC name of N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide (CID 60719517) is N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide is CCC(C)NC(=O)C(C)NC(C)CCCC(C)C.
What is the InChIKey of N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide?
The InChIKey is ZBTLFIUZRBKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-12(4)17-15(18)14(6)16-13(5)10-8-9-11(2)3/h11-14,16H,7-10H2,1-6H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide?
N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide has a molecular weight of 256.43 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide is sourced from PubChem (CID 60719517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).