(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide

C20H25N3O2 — CID 40714921

IUPAC(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide
SMILESCC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-13(2)18(23-20(21)25)19(24)22-14(3)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-14,18H,1-3H3,(H,22,24)(H3,21,23,25)/t14-,18-/m1/s1
InChIKeyXLEBBIUXESSRHI-RDTXWAMCSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds6

About (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide

(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide (PubChem CID 40714921) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide
PubChem CID40714921
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide
SMILESCC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-13(2)18(23-20(21)25)19(24)22-14(3)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-14,18H,1-3H3,(H,22,24)(H3,21,23,25)/t14-,18-/m1/s1
InChIKeyXLEBBIUXESSRHI-RDTXWAMCSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
CID 78776331
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 88940035
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
benzyl N-[(2S)-1-[1-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55929771
(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
CID 25496727
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 65228366
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
3,5,5-trimethyl-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]hexanamide
CID 42703747
2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
CID 167814895
4-methyl-N-[3-methyl-1-oxo-1-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]butan-2-yl]benzamide
CID 55962364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide (CID 40714921) is (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide is CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide?
The InChIKey is XLEBBIUXESSRHI-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)18(23-20(21)25)19(24)22-14(3)15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-14,18H,1-3H3,(H,22,24)(H3,21,23,25)/t14-,18-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide?
(2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-3-methyl-N-[(1R)-1-(4-phenylphenyl)ethyl]butanamide is sourced from PubChem (CID 40714921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).