phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate

C20H24N2O2 — CID 166706531

IUPACphenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate
SMILESC=C(C)C(CC)NCc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-4-19(15(2)3)21-14-16-10-12-17(13-11-16)22-20(23)24-18-8-6-5-7-9-18/h5-13,19,21H,2,4,14H2,1,3H3,(H,22,23)
InChIKeyTVEWGCKUYLGDRB-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.74
Rot. Bonds7

About phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate

phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate (PubChem CID 166706531) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate
PubChem CID166706531
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namephenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate
SMILESC=C(C)C(CC)NCc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-4-19(15(2)3)21-14-16-10-12-17(13-11-16)22-20(23)24-18-8-6-5-7-9-18/h5-13,19,21H,2,4,14H2,1,3H3,(H,22,23)
InChIKeyTVEWGCKUYLGDRB-UHFFFAOYSA-N
XLogP4.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
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(4-acetamidophenyl) N-phenylcarbamate
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(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
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benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
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N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
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phenyl N-(4-iodophenyl)carbamate
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(2S)-2-(benzylamino)butanamide
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N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
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benzyl (2S)-2-(benzylamino)butanoate
CID 59758756

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate (CID 166706531) is phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate is C=C(C)C(CC)NCc1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate?
The InChIKey is TVEWGCKUYLGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-19(15(2)3)21-14-16-10-12-17(13-11-16)22-20(23)24-18-8-6-5-7-9-18/h5-13,19,21H,2,4,14H2,1,3H3,(H,22,23).
What are the key properties of phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate?
phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 166706531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).