N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide

C20H29N3O2 — CID 119655571

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)CN)c2C)cc1
InChIInChI=1S/C20H29N3O2/c1-14-11-18(19(24)22(5)13-20(3,4)12-21)15(2)23(14)16-7-9-17(25-6)10-8-16/h7-11H,12-13,21H2,1-6H3
InChIKeyAWFUHWUCVZVODZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.16
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 119655571) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID119655571
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)CN)c2C)cc1
InChIInChI=1S/C20H29N3O2/c1-14-11-18(19(24)22(5)13-20(3,4)12-21)15(2)23(14)16-7-9-17(25-6)10-8-16/h7-11H,12-13,21H2,1-6H3
InChIKeyAWFUHWUCVZVODZ-UHFFFAOYSA-N
XLogP3.16
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 119583971
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-methoxyphenoxy)ethanone
CID 110656356
2-[ethyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119206183
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 119574777
2-[cyclopropyl-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119195068
2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]acetic acid
CID 119171465
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
2-(3,5-dichlorophenoxy)-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 7262906
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide (CID 119655571) is N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)N(C)CC(C)(C)CN)c2C)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is AWFUHWUCVZVODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-11-18(19(24)22(5)13-20(3,4)12-21)15(2)23(14)16-7-9-17(25-6)10-8-16/h7-11H,12-13,21H2,1-6H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(4-methoxyphenyl)-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119655571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).