N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C16H25N3O — CID 106981090

IUPACN-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2cccc(N(C)C)c2)CCNC1
InChIInChI=1S/C16H25N3O/c1-12(2)16(8-9-17-11-16)15(20)18-13-6-5-7-14(10-13)19(3)4/h5-7,10,12,17H,8-9,11H2,1-4H3,(H,18,20)
InChIKeyGSAKMLWRXGEIOT-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.33
Rot. Bonds4

About N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981090) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981090
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2cccc(N(C)C)c2)CCNC1
InChIInChI=1S/C16H25N3O/c1-12(2)16(8-9-17-11-16)15(20)18-13-6-5-7-14(10-13)19(3)4/h5-7,10,12,17H,8-9,11H2,1-4H3,(H,18,20)
InChIKeyGSAKMLWRXGEIOT-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
1-[[3-(dimethylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 115378956
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
3-propan-2-yl-N-pyrimidin-5-ylpyrrolidine-3-carboxamide
CID 107588576

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981090) is N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2cccc(N(C)C)c2)CCNC1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GSAKMLWRXGEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)16(8-9-17-11-16)15(20)18-13-6-5-7-14(10-13)19(3)4/h5-7,10,12,17H,8-9,11H2,1-4H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).