2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide

C15H22N4O2 — CID 60848333

IUPAC2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H22N4O2/c16-13(9-14(17)20)15(21)18-12-5-3-11(4-6-12)10-19-7-1-2-8-19/h3-6,13H,1-2,7-10,16H2,(H2,17,20)(H,18,21)
InChIKeySQZVKNWJTYXYKI-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.42
Rot. Bonds6

About 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide

2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide (PubChem CID 60848333) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
PubChem CID60848333
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H22N4O2/c16-13(9-14(17)20)15(21)18-12-5-3-11(4-6-12)10-19-7-1-2-8-19/h3-6,13H,1-2,7-10,16H2,(H2,17,20)(H,18,21)
InChIKeySQZVKNWJTYXYKI-UHFFFAOYSA-N
XLogP0.42
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide (CID 60848333) is 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide is NC(=O)CC(N)C(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide?
The InChIKey is SQZVKNWJTYXYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-13(9-14(17)20)15(21)18-12-5-3-11(4-6-12)10-19-7-1-2-8-19/h3-6,13H,1-2,7-10,16H2,(H2,17,20)(H,18,21).
What are the key properties of 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide?
2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide has a molecular weight of 290.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide is sourced from PubChem (CID 60848333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).