2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C23H31N3O — CID 9133103

IUPAC2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1ccc(CN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-18(2)23(20-8-4-3-5-9-20)24-16-22(27)25-21-12-10-19(11-13-21)17-26-14-6-7-15-26/h3-5,8-13,18,23-24H,6-7,14-17H2,1-2H3,(H,25,27)/t23-/m1/s1
InChIKeyWPTRRNSQPOEXEK-HSZRJFAPSA-N
MW365.52 g/mol
LogP4.21
Rot. Bonds8

About 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 9133103) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID9133103
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1ccc(CN2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-18(2)23(20-8-4-3-5-9-20)24-16-22(27)25-21-12-10-19(11-13-21)17-26-14-6-7-15-26/h3-5,8-13,18,23-24H,6-7,14-17H2,1-2H3,(H,25,27)/t23-/m1/s1
InChIKeyWPTRRNSQPOEXEK-HSZRJFAPSA-N
XLogP4.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
CID 9132978
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 9133103) is 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is CC(C)[C@@H](NCC(=O)Nc1ccc(CN2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is WPTRRNSQPOEXEK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(2)23(20-8-4-3-5-9-20)24-16-22(27)25-21-12-10-19(11-13-21)17-26-14-6-7-15-26/h3-5,8-13,18,23-24H,6-7,14-17H2,1-2H3,(H,25,27)/t23-/m1/s1.
What are the key properties of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 9133103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).