2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide

C14H22N2O — CID 63867528

IUPAC2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
SMILESCCC(C)NCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-11(2)15-10-14(17)16-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyACZXRIZKCLSBPQ-KIYNQFGBSA-N
MW234.34 g/mol
LogP2.25
Rot. Bonds6

About 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide

2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 63867528) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID63867528
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
SMILESCCC(C)NCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-4-11(2)15-10-14(17)16-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyACZXRIZKCLSBPQ-KIYNQFGBSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 81359750
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
N-[1-(4-bromophenyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60646828
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide (CID 63867528) is 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide is CCC(C)NCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is ACZXRIZKCLSBPQ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-11(2)15-10-14(17)16-12(3)13-8-6-5-7-9-13/h5-9,11-12,15H,4,10H2,1-3H3,(H,16,17)/t11?,12-/m0/s1.
What are the key properties of 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide?
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 63867528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).