octan-3-yl N-[4-(dimethylamino)phenyl]carbamate

C17H28N2O2 — CID 174496203

IUPACoctan-3-yl N-[4-(dimethylamino)phenyl]carbamate
SMILESCCCCCC(CC)OC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-7-8-9-16(6-2)21-17(20)18-14-10-12-15(13-11-14)19(3)4/h10-13,16H,5-9H2,1-4H3,(H,18,20)
InChIKeyNXCNJMXOFBSHIX-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.66
Rot. Bonds8

About octan-3-yl N-[4-(dimethylamino)phenyl]carbamate

octan-3-yl N-[4-(dimethylamino)phenyl]carbamate (PubChem CID 174496203) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is octan-3-yl N-[4-(dimethylamino)phenyl]carbamate.

Molecular Properties

Compound Nameoctan-3-yl N-[4-(dimethylamino)phenyl]carbamate
PubChem CID174496203
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameoctan-3-yl N-[4-(dimethylamino)phenyl]carbamate
SMILESCCCCCC(CC)OC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-5-7-8-9-16(6-2)21-17(20)18-14-10-12-15(13-11-14)19(3)4/h10-13,16H,5-9H2,1-4H3,(H,18,20)
InChIKeyNXCNJMXOFBSHIX-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octan-3-yl N-(3-fluorophenyl)carbamate
CID 174482782
2-butylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 78762031
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
dinonan-3-yl benzene-1,2-dicarboxylate
CID 66874656
[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
CID 71586856
ethane;pentan-3-yl 4-(dimethylamino)benzoate
CID 142196219
N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
CID 2455475
(2R)-2-[[4-(dimethylamino)phenyl]carbamoylamino]pentanoic acid
CID 107566268
4-[4-(dimethylamino)anilino]nonanal
CID 167155386
henicosan-3-yl hydrogen carbonate
CID 87300438
[(3S)-nonan-3-yl] acetate
CID 76967958

Frequently Asked Questions

What is the IUPAC name of octan-3-yl N-[4-(dimethylamino)phenyl]carbamate?
The IUPAC name of octan-3-yl N-[4-(dimethylamino)phenyl]carbamate (CID 174496203) is octan-3-yl N-[4-(dimethylamino)phenyl]carbamate.
What is the SMILES notation for octan-3-yl N-[4-(dimethylamino)phenyl]carbamate?
The canonical SMILES for octan-3-yl N-[4-(dimethylamino)phenyl]carbamate is CCCCCC(CC)OC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of octan-3-yl N-[4-(dimethylamino)phenyl]carbamate?
The InChIKey is NXCNJMXOFBSHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-7-8-9-16(6-2)21-17(20)18-14-10-12-15(13-11-14)19(3)4/h10-13,16H,5-9H2,1-4H3,(H,18,20).
What are the key properties of octan-3-yl N-[4-(dimethylamino)phenyl]carbamate?
octan-3-yl N-[4-(dimethylamino)phenyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octan-3-yl N-[4-(dimethylamino)phenyl]carbamate is sourced from PubChem (CID 174496203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).