[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid

C18H28N2O3 — CID 146220101

IUPAC[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid
SMILESCC(C)C(C)(C(=O)NCC(NC(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)18(5,13(3)4)16(21)19-11-15(20-17(22)23)14-9-7-6-8-10-14/h6-10,12-13,15,20H,11H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyPDLFKVSNOYRNFM-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.43
Rot. Bonds7

About [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid

[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid (PubChem CID 146220101) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid.

Molecular Properties

Compound Name[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid
PubChem CID146220101
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid
SMILESCC(C)C(C)(C(=O)NCC(NC(=O)O)c1ccccc1)C(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)18(5,13(3)4)16(21)19-11-15(20-17(22)23)14-9-7-6-8-10-14/h6-10,12-13,15,20H,11H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyPDLFKVSNOYRNFM-UHFFFAOYSA-N
XLogP3.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide
CID 146220012
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
[2-(carbamothioylamino)-2-phenylethyl]carbamic acid
CID 149149215
2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
1-phenylhexylcarbamic acid
CID 21477897
(3-methoxy-1-phenylpropyl)carbamic acid
CID 67224649
2-(ethylamino)-2-methyl-N-(2-phenylpropyl)propanamide
CID 62834242
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525
1-phenyloctylcarbamic acid
CID 90271204

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid?
The IUPAC name of [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid (CID 146220101) is [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid.
What is the SMILES notation for [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid?
The canonical SMILES for [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid is CC(C)C(C)(C(=O)NCC(NC(=O)O)c1ccccc1)C(C)C.
What is the InChIKey of [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid?
The InChIKey is PDLFKVSNOYRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)18(5,13(3)4)16(21)19-11-15(20-17(22)23)14-9-7-6-8-10-14/h6-10,12-13,15,20H,11H2,1-5H3,(H,19,21)(H,22,23).
What are the key properties of [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid?
[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid has a molecular weight of 320.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid is sourced from PubChem (CID 146220101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).