methyl N-[3-(heptan-3-ylamino)phenyl]carbamate

C15H24N2O2 — CID 63945728

IUPACmethyl N-[3-(heptan-3-ylamino)phenyl]carbamate
SMILESCCCCC(CC)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C15H24N2O2/c1-4-6-8-12(5-2)16-13-9-7-10-14(11-13)17-15(18)19-3/h7,9-12,16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyDKDCUQLPQSTTFB-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.25
Rot. Bonds7

About methyl N-[3-(heptan-3-ylamino)phenyl]carbamate

methyl N-[3-(heptan-3-ylamino)phenyl]carbamate (PubChem CID 63945728) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl N-[3-(heptan-3-ylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(heptan-3-ylamino)phenyl]carbamate
PubChem CID63945728
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl N-[3-(heptan-3-ylamino)phenyl]carbamate
SMILESCCCCC(CC)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C15H24N2O2/c1-4-6-8-12(5-2)16-13-9-7-10-14(11-13)17-15(18)19-3/h7,9-12,16H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyDKDCUQLPQSTTFB-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
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N-heptan-3-yl-3-propan-2-ylaniline
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methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
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methyl N-[3-(3-methoxybutan-2-ylamino)phenyl]carbamate
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methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(heptan-3-ylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(heptan-3-ylamino)phenyl]carbamate (CID 63945728) is methyl N-[3-(heptan-3-ylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(heptan-3-ylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(heptan-3-ylamino)phenyl]carbamate is CCCCC(CC)Nc1cccc(NC(=O)OC)c1.
What is the InChIKey of methyl N-[3-(heptan-3-ylamino)phenyl]carbamate?
The InChIKey is DKDCUQLPQSTTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-6-8-12(5-2)16-13-9-7-10-14(11-13)17-15(18)19-3/h7,9-12,16H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of methyl N-[3-(heptan-3-ylamino)phenyl]carbamate?
methyl N-[3-(heptan-3-ylamino)phenyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(heptan-3-ylamino)phenyl]carbamate is sourced from PubChem (CID 63945728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).