N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide

C20H33N3O2 — CID 146220012

IUPACN-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C)(C(=O)NC[C@@H](NC(=O)[C@@H](C)N)c1ccccc1)C(C)C
InChIInChI=1S/C20H33N3O2/c1-13(2)20(6,14(3)4)19(25)22-12-17(23-18(24)15(5)21)16-10-8-7-9-11-16/h7-11,13-15,17H,12,21H2,1-6H3,(H,22,25)(H,23,24)/t15-,17-/m1/s1
InChIKeyYEMXCPIAIJHBLJ-NVXWUHKLSA-N
MW347.50 g/mol
LogP2.63
Rot. Bonds8

About N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide

N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 146220012) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID146220012
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C)(C(=O)NC[C@@H](NC(=O)[C@@H](C)N)c1ccccc1)C(C)C
InChIInChI=1S/C20H33N3O2/c1-13(2)20(6,14(3)4)19(25)22-12-17(23-18(24)15(5)21)16-10-8-7-9-11-16/h7-11,13-15,17H,12,21H2,1-6H3,(H,22,25)(H,23,24)/t15-,17-/m1/s1
InChIKeyYEMXCPIAIJHBLJ-NVXWUHKLSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide with MolForge

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Related Compounds

[2-[(2,3-dimethyl-2-propan-2-ylbutanoyl)amino]-1-phenylethyl]carbamic acid
CID 146220101
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide
CID 146220042
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
(2S)-2-amino-N-(3,3-dimethyl-1-phenylbutyl)-4-methylpentanamide
CID 61155123
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide (CID 146220012) is N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C)(C(=O)NC[C@@H](NC(=O)[C@@H](C)N)c1ccccc1)C(C)C.
What is the InChIKey of N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is YEMXCPIAIJHBLJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-13(2)20(6,14(3)4)19(25)22-12-17(23-18(24)15(5)21)16-10-8-7-9-11-16/h7-11,13-15,17H,12,21H2,1-6H3,(H,22,25)(H,23,24)/t15-,17-/m1/s1.
What are the key properties of N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide?
N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 347.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 146220012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).