(3-anilinophenyl)methyl-propylcarbamic acid

C17H20N2O2 — CID 67551661

IUPAC(3-anilinophenyl)methyl-propylcarbamic acid
SMILESCCCN(Cc1cccc(Nc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-11-19(17(20)21)13-14-7-6-10-16(12-14)18-15-8-4-3-5-9-15/h3-10,12,18H,2,11,13H2,1H3,(H,20,21)
InChIKeyHZMSWFVXJDABKP-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.32
Rot. Bonds6

About (3-anilinophenyl)methyl-propylcarbamic acid

(3-anilinophenyl)methyl-propylcarbamic acid (PubChem CID 67551661) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-anilinophenyl)methyl-propylcarbamic acid.

Molecular Properties

Compound Name(3-anilinophenyl)methyl-propylcarbamic acid
PubChem CID67551661
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-anilinophenyl)methyl-propylcarbamic acid
SMILESCCCN(Cc1cccc(Nc2ccccc2)c1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-11-19(17(20)21)13-14-7-6-10-16(12-14)18-15-8-4-3-5-9-15/h3-10,12,18H,2,11,13H2,1H3,(H,20,21)
InChIKeyHZMSWFVXJDABKP-UHFFFAOYSA-N
XLogP4.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-phenyl-1-propylurea
CID 78786424
2,4-bis[(4-anilinophenyl)methyl-propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid
CID 19048219
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
(4-hydroxyphenyl)methyl-propylcarbamic acid
CID 69013096
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890

Frequently Asked Questions

What is the IUPAC name of (3-anilinophenyl)methyl-propylcarbamic acid?
The IUPAC name of (3-anilinophenyl)methyl-propylcarbamic acid (CID 67551661) is (3-anilinophenyl)methyl-propylcarbamic acid.
What is the SMILES notation for (3-anilinophenyl)methyl-propylcarbamic acid?
The canonical SMILES for (3-anilinophenyl)methyl-propylcarbamic acid is CCCN(Cc1cccc(Nc2ccccc2)c1)C(=O)O.
What is the InChIKey of (3-anilinophenyl)methyl-propylcarbamic acid?
The InChIKey is HZMSWFVXJDABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-11-19(17(20)21)13-14-7-6-10-16(12-14)18-15-8-4-3-5-9-15/h3-10,12,18H,2,11,13H2,1H3,(H,20,21).
What are the key properties of (3-anilinophenyl)methyl-propylcarbamic acid?
(3-anilinophenyl)methyl-propylcarbamic acid has a molecular weight of 284.36 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinophenyl)methyl-propylcarbamic acid is sourced from PubChem (CID 67551661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).