3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide

C21H35N3O — CID 39131071

IUPAC3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCc1ccc(N2CCCC2)c(N)c1
InChIInChI=1S/C21H35N3O/c1-16(2)14-24(15-17(3)4)21(25)10-8-18-7-9-20(19(22)13-18)23-11-5-6-12-23/h7,9,13,16-17H,5-6,8,10-12,14-15,22H2,1-4H3
InChIKeyAHASXHRNTYDHTK-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.94
Rot. Bonds8

About 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide

3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide (PubChem CID 39131071) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
PubChem CID39131071
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCc1ccc(N2CCCC2)c(N)c1
InChIInChI=1S/C21H35N3O/c1-16(2)14-24(15-17(3)4)21(25)10-8-18-7-9-20(19(22)13-18)23-11-5-6-12-23/h7,9,13,16-17H,5-6,8,10-12,14-15,22H2,1-4H3
InChIKeyAHASXHRNTYDHTK-UHFFFAOYSA-N
XLogP3.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
CID 82027779
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 39131226
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
CID 39112746
3-(3-amino-4-morpholin-4-ylphenyl)-N-tert-butyl-N-ethylpropanamide
CID 82027775
5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966
(3-amino-4-pyrrolidin-1-ylphenyl)methanol
CID 94830386
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 39112705
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
CID 82027749
5-[3-(N-methylanilino)propyl]-2-piperidin-1-ylaniline
CID 82071739

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide?
The IUPAC name of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide (CID 39131071) is 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide?
The canonical SMILES for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)CCc1ccc(N2CCCC2)c(N)c1.
What is the InChIKey of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide?
The InChIKey is AHASXHRNTYDHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-16(2)14-24(15-17(3)4)21(25)10-8-18-7-9-20(19(22)13-18)23-11-5-6-12-23/h7,9,13,16-17H,5-6,8,10-12,14-15,22H2,1-4H3.
What are the key properties of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide?
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 345.53 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 39131071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).