acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide

C20H34N4O3 — CID 162387217

IUPACacetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide
SMILESCC(N)=O.CCCCCCNC(=O)N[C@@H](C)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H29N3O2.C2H5NO/c1-3-4-5-9-13-20-18(23)21-15(2)17(22)19-14-12-16-10-7-6-8-11-16;1-2(3)4/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,19,22)(H2,20,21,23);1H3,(H2,3,4)/t15-;/m0./s1
InChIKeyAAWKQGMRJJUREP-RSAXXLAASA-N
MW378.52 g/mol
LogP2.10
Rot. Bonds10

About acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide

acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide (PubChem CID 162387217) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Nameacetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide
PubChem CID162387217
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Nameacetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide
SMILESCC(N)=O.CCCCCCNC(=O)N[C@@H](C)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H29N3O2.C2H5NO/c1-3-4-5-9-13-20-18(23)21-15(2)17(22)19-14-12-16-10-7-6-8-11-16;1-2(3)4/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,19,22)(H2,20,21,23);1H3,(H2,3,4)/t15-;/m0./s1
InChIKeyAAWKQGMRJJUREP-RSAXXLAASA-N
XLogP2.10
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 162388160
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
2-[[(2S)-2-(dodecylcarbamoylamino)propanoyl]amino]acetic acid
CID 25058027
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
1-benzhydryl-3-octadecylurea
CID 142646590
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
benzyl (2S)-2-(decylcarbamoylamino)-4-methylpentanoate
CID 91350723

Frequently Asked Questions

What is the IUPAC name of acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide?
The IUPAC name of acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide (CID 162387217) is acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide is CC(N)=O.CCCCCCNC(=O)N[C@@H](C)C(=O)NCCc1ccccc1.
What is the InChIKey of acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide?
The InChIKey is AAWKQGMRJJUREP-RSAXXLAASA-N. The full InChI is InChI=1S/C18H29N3O2.C2H5NO/c1-3-4-5-9-13-20-18(23)21-15(2)17(22)19-14-12-16-10-7-6-8-11-16;1-2(3)4/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,19,22)(H2,20,21,23);1H3,(H2,3,4)/t15-;/m0./s1.
What are the key properties of acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide?
acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 2.10, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(2S)-2-(hexylcarbamoylamino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 162387217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).