1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide

C16H24N2O2 — CID 164636835

IUPAC1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
SMILESCc1ccc(C[C@H](C)NC(=O)C2(N)CC(O)C2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-10-4-5-13(11(2)6-10)7-12(3)18-15(20)16(17)8-14(19)9-16/h4-6,12,14,19H,7-9,17H2,1-3H3,(H,18,20)/t12-,14?,16?/m0/s1
InChIKeyZRHQLEYQCHBIMF-YGONEPDPSA-N
MW276.38 g/mol
LogP1.20
Rot. Bonds4

About 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide

1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide (PubChem CID 164636835) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
PubChem CID164636835
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
SMILESCc1ccc(C[C@H](C)NC(=O)C2(N)CC(O)C2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-10-4-5-13(11(2)6-10)7-12(3)18-15(20)16(17)8-14(19)9-16/h4-6,12,14,19H,7-9,17H2,1-3H3,(H,18,20)/t12-,14?,16?/m0/s1
InChIKeyZRHQLEYQCHBIMF-YGONEPDPSA-N
XLogP1.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
CID 119779245
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506164
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925079
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779216
4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 56784402
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95617271

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide (CID 164636835) is 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide is Cc1ccc(C[C@H](C)NC(=O)C2(N)CC(O)C2)c(C)c1.
What is the InChIKey of 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide?
The InChIKey is ZRHQLEYQCHBIMF-YGONEPDPSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-4-5-13(11(2)6-10)7-12(3)18-15(20)16(17)8-14(19)9-16/h4-6,12,14,19H,7-9,17H2,1-3H3,(H,18,20)/t12-,14?,16?/m0/s1.
What are the key properties of 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide?
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 164636835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).