3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C17H27N3O — CID 60854515

IUPAC3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)18-10-9-17(21)19-16-7-5-15(6-8-16)13-20-11-3-4-12-20/h5-8,14,18H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyDMLSMTIZPHVKLV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.61
Rot. Bonds7

About 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 60854515) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID60854515
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)18-10-9-17(21)19-16-7-5-15(6-8-16)13-20-11-3-4-12-20/h5-8,14,18H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeyDMLSMTIZPHVKLV-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.61
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
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 9133103
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
3-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739321

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 60854515) is 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is CC(C)NCCC(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is DMLSMTIZPHVKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)18-10-9-17(21)19-16-7-5-15(6-8-16)13-20-11-3-4-12-20/h5-8,14,18H,3-4,9-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 60854515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).