4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide

C16H32N2O2 — CID 146520641

IUPAC4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
SMILESCC(=O)[C@H](CCCCNC(=O)CCC(C)C)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)9-10-16(20)17-11-7-6-8-15(14(5)19)18-13(3)4/h12-13,15,18H,6-11H2,1-5H3,(H,17,20)/t15-/m0/s1
InChIKeyZDVMADQUXVWBHE-HNNXBMFYSA-N
MW284.44 g/mol
LogP2.66
Rot. Bonds11

About 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide

4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide (PubChem CID 146520641) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
PubChem CID146520641
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
SMILESCC(=O)[C@H](CCCCNC(=O)CCC(C)C)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)9-10-16(20)17-11-7-6-8-15(14(5)19)18-13(3)4/h12-13,15,18H,6-11H2,1-5H3,(H,17,20)/t15-/m0/s1
InChIKeyZDVMADQUXVWBHE-HNNXBMFYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide
CID 59260631
(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
(2S)-2-(hexadecanoylamino)-5-oxo-5-[[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]amino]pentanoic acid
CID 139516784
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
8-methyl-N-[7-oxo-7-[[1-oxo-1,7-bis(propan-2-ylamino)heptan-2-yl]amino]-6-(propan-2-ylamino)heptyl]nonanamide
CID 165380224
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
(2R)-2-(carbonofluoridoylamino)-5-[[(5S)-7-methyl-6-oxo-5-(propan-2-ylamino)octyl]amino]-5-oxopentanoic acid
CID 177067624

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide?
The IUPAC name of 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide (CID 146520641) is 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide?
The canonical SMILES for 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide is CC(=O)[C@H](CCCCNC(=O)CCC(C)C)NC(C)C.
What is the InChIKey of 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide?
The InChIKey is ZDVMADQUXVWBHE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)9-10-16(20)17-11-7-6-8-15(14(5)19)18-13(3)4/h12-13,15,18H,6-11H2,1-5H3,(H,17,20)/t15-/m0/s1.
What are the key properties of 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide?
4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide has a molecular weight of 284.44 g/mol, XLogP of 2.66, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide is sourced from PubChem (CID 146520641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).