N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide

C12H24N2O2 — CID 60597163

IUPACN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide
SMILESCCCCC(=O)NC(C)C(=O)NC(C)CC
InChIInChI=1S/C12H24N2O2/c1-5-7-8-11(15)14-10(4)12(16)13-9(3)6-2/h9-10H,5-8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyVIOVBWYNQZFGEY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds7

About N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide

N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide (PubChem CID 60597163) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide
PubChem CID60597163
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide
SMILESCCCCC(=O)NC(C)C(=O)NC(C)CC
InChIInChI=1S/C12H24N2O2/c1-5-7-8-11(15)14-10(4)12(16)13-9(3)6-2/h9-10H,5-8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyVIOVBWYNQZFGEY-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
methyl 2-(pentanoylamino)propanoate
CID 541659
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
2-(hexanoylamino)propanoic acid
CID 2828500
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
pentyl 2-(pentanoylamino)propanoate
CID 6420533
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide?
The IUPAC name of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide (CID 60597163) is N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide is CCCCC(=O)NC(C)C(=O)NC(C)CC.
What is the InChIKey of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide?
The InChIKey is VIOVBWYNQZFGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-7-8-11(15)14-10(4)12(16)13-9(3)6-2/h9-10H,5-8H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide?
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 60597163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).