2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C15H23N3O2 — CID 81082842

IUPAC2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-20-11-14(16)15(19)17-13-6-4-12(5-7-13)10-18-8-2-3-9-18/h4-7,14H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyNDNFWEDEKJFSMH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 81082842) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID81082842
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-20-11-14(16)15(19)17-13-6-4-12(5-7-13)10-18-8-2-3-9-18/h4-7,14H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyNDNFWEDEKJFSMH-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
CID 60848333
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
(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-[(3-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119845028
2-amino-3-methoxy-N-[4-(2-methylsulfanylethyl)phenyl]propanamide;hydrochloride
CID 120988865
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 81082842) is 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is COCC(N)C(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is NDNFWEDEKJFSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-11-14(16)15(19)17-13-6-4-12(5-7-13)10-18-8-2-3-9-18/h4-7,14H,2-3,8-11,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 81082842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).