N-benzhydrylformamide;diphenylmethanamine;ethyl formate

C30H32N2O3 — CID 158977505

IUPACN-benzhydrylformamide;diphenylmethanamine;ethyl formate
SMILESCCOC=O.NC(c1ccccc1)c1ccccc1.O=CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO.C13H13N.C3H6O2/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-5-3-4/h1-11,14H,(H,15,16);1-10,13H,14H2;3H,2H2,1H3
InChIKeyJOOQJENEIKZVES-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.44
Rot. Bonds8

About N-benzhydrylformamide;diphenylmethanamine;ethyl formate

N-benzhydrylformamide;diphenylmethanamine;ethyl formate (PubChem CID 158977505) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-benzhydrylformamide;diphenylmethanamine;ethyl formate.

Molecular Properties

Compound NameN-benzhydrylformamide;diphenylmethanamine;ethyl formate
PubChem CID158977505
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC NameN-benzhydrylformamide;diphenylmethanamine;ethyl formate
SMILESCCOC=O.NC(c1ccccc1)c1ccccc1.O=CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO.C13H13N.C3H6O2/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-5-3-4/h1-11,14H,(H,15,16);1-10,13H,14H2;3H,2H2,1H3
InChIKeyJOOQJENEIKZVES-UHFFFAOYSA-N
XLogP5.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydrylformamide;diphenylmethanamine;ethyl formate;methane
CID 160841595
N-[(R)-(4-methylphenyl)-phenylmethyl]formamide
CID 2119878
N-[ethoxy(phenyl)methyl]formamide
CID 24975232
N-[(S)-(4-fluorophenyl)-phenylmethyl]formamide
CID 11499592
N-[(R)-(3-methylphenyl)-phenylmethyl]formamide
CID 12969500
ethylbenzene;ethyl formate
CID 123765960
ethyl formate;phenoxybenzene
CID 174262860
aniline;bicyclo[2.2.0]hexa-1,3,5-triene;ethyl formate
CID 174349265
2-benzhydrylfuran;ethyl formate
CID 174588492
ethyl 2-amino-2-phenylacetate;ethyl 2-formamido-2-phenylacetate;hydrochloride
CID 158687783
bromomethylbenzene;ethyl formate
CID 160682480
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylformamide;diphenylmethanamine;ethyl formate?
The IUPAC name of N-benzhydrylformamide;diphenylmethanamine;ethyl formate (CID 158977505) is N-benzhydrylformamide;diphenylmethanamine;ethyl formate.
What is the SMILES notation for N-benzhydrylformamide;diphenylmethanamine;ethyl formate?
The canonical SMILES for N-benzhydrylformamide;diphenylmethanamine;ethyl formate is CCOC=O.NC(c1ccccc1)c1ccccc1.O=CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylformamide;diphenylmethanamine;ethyl formate?
The InChIKey is JOOQJENEIKZVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C13H13N.C3H6O2/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-5-3-4/h1-11,14H,(H,15,16);1-10,13H,14H2;3H,2H2,1H3.
What are the key properties of N-benzhydrylformamide;diphenylmethanamine;ethyl formate?
N-benzhydrylformamide;diphenylmethanamine;ethyl formate has a molecular weight of 468.60 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylformamide;diphenylmethanamine;ethyl formate is sourced from PubChem (CID 158977505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).