3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide

C19H31N3O2 — CID 23140249

IUPAC3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(N(CC(C)C)CC(C)C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-14(2)10-21(11-15(3)4)17-12-22(13-17)19(23)20-16-6-8-18(24-5)9-7-16/h6-9,14-15,17H,10-13H2,1-5H3,(H,20,23)
InChIKeyODWZCPIMQCDYEM-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.53
Rot. Bonds7

About 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide

3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 23140249) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
PubChem CID23140249
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(N(CC(C)C)CC(C)C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-14(2)10-21(11-15(3)4)17-12-22(13-17)19(23)20-16-6-8-18(24-5)9-7-16/h6-9,14-15,17H,10-13H2,1-5H3,(H,20,23)
InChIKeyODWZCPIMQCDYEM-UHFFFAOYSA-N
XLogP3.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
3-[[3-[bis(2-methylpropyl)amino]azetidine-1-carbonyl]amino]benzoic acid
CID 69056634
3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140227
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
(3S,8R,10S)-10-[(dimethylamino)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CID 170099301
3-(diethylamino)-N-phenylazetidine-1-carboxamide
CID 23140628
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
methyl (2S)-2-[[4-[(4-methoxyphenyl)carbamoyl]piperazine-1-carbonyl]amino]-4-methylpentanoate
CID 126483001
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide (CID 23140249) is 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide is COc1ccc(NC(=O)N2CC(N(CC(C)C)CC(C)C)C2)cc1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is ODWZCPIMQCDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14(2)10-21(11-15(3)4)17-12-22(13-17)19(23)20-16-6-8-18(24-5)9-7-16/h6-9,14-15,17H,10-13H2,1-5H3,(H,20,23).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide?
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).