(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide

C17H26N2O2 — CID 167881272

IUPAC(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
SMILESCCCC(CCc1ccccc1)NC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-8-16(12-11-15-9-6-5-7-10-15)19-17(21)13(2)18-14(3)20/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,18,20)(H,19,21)/t13-,16?/m0/s1
InChIKeyBXNFXTOILLNPCQ-KNVGNIICSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds8

About (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide

(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide (PubChem CID 167881272) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
PubChem CID167881272
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
SMILESCCCC(CCc1ccccc1)NC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-8-16(12-11-15-9-6-5-7-10-15)19-17(21)13(2)18-14(3)20/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,18,20)(H,19,21)/t13-,16?/m0/s1
InChIKeyBXNFXTOILLNPCQ-KNVGNIICSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
4,4-difluoro-2-methyl-N-(1-phenylhexan-3-yl)butanamide
CID 167903936
(Z)-4-oxo-4-(1-phenylhexan-3-ylamino)but-2-enoic acid
CID 102248926
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2R)-2-acetamido-N-(2-phenylethoxy)propanamide
CID 87633799
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
3-methyl-5-(1-phenylhexan-3-ylamino)heptan-4-one
CID 143057501
2-(cyclopropylmethylamino)-N-(1-phenylhexan-3-yl)acetamide
CID 119802845
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide (CID 167881272) is (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide is CCCC(CCc1ccccc1)NC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide?
The InChIKey is BXNFXTOILLNPCQ-KNVGNIICSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-8-16(12-11-15-9-6-5-7-10-15)19-17(21)13(2)18-14(3)20/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,18,20)(H,19,21)/t13-,16?/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide?
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide is sourced from PubChem (CID 167881272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).