ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate

C19H25N3O2 — CID 10336571

IUPACethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(C(C)C)cc2)cc1N
InChIInChI=1S/C19H25N3O2/c1-4-24-19(23)22-18-10-5-14(11-17(18)20)12-21-16-8-6-15(7-9-16)13(2)3/h5-11,13,21H,4,12,20H2,1-3H3,(H,22,23)
InChIKeyOVMRYCWHBHWHDB-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.57
Rot. Bonds6

About ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate

ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate (PubChem CID 10336571) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate
PubChem CID10336571
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nameethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(CNc2ccc(C(C)C)cc2)cc1N
InChIInChI=1S/C19H25N3O2/c1-4-24-19(23)22-18-10-5-14(11-17(18)20)12-21-16-8-6-15(7-9-16)13(2)3/h5-11,13,21H,4,12,20H2,1-3H3,(H,22,23)
InChIKeyOVMRYCWHBHWHDB-UHFFFAOYSA-N
XLogP4.57
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-amino-4-[(3-chloro-4-methylanilino)methyl]phenyl]carbamate
CID 10019763
ethyl N-[2-amino-4-[(4-sulfanylphenyl)methylamino]phenyl]carbamate
CID 134493537
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;hydrochloride
CID 10020110
ethyl N-[2-amino-4-[(2-fluoroanilino)methyl]phenyl]carbamate
CID 11722512
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;phosphoric acid
CID 72548935
ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
CID 10266902
ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 129011684
ethyl 3-amino-4-(4-propan-2-ylanilino)benzoate
CID 100625271
ethyl N-[2-amino-4-[amino-(3-methylphenyl)methyl]phenyl]carbamate
CID 68514201
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857
1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
CID 104612656

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate (CID 10336571) is ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate is CCOC(=O)Nc1ccc(CNc2ccc(C(C)C)cc2)cc1N.
What is the InChIKey of ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate?
The InChIKey is OVMRYCWHBHWHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-24-19(23)22-18-10-5-14(11-17(18)20)12-21-16-8-6-15(7-9-16)13(2)3/h5-11,13,21H,4,12,20H2,1-3H3,(H,22,23).
What are the key properties of ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate?
ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-4-[(4-propan-2-ylanilino)methyl]phenyl]carbamate is sourced from PubChem (CID 10336571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).