butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid

C14H21NO4 — CID 173251132

IUPACbutyl-(2-hydroxy-3-phenoxypropyl)carbamic acid
SMILESCCCCN(CC(O)COc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-2-3-9-15(14(17)18)10-12(16)11-19-13-7-5-4-6-8-13/h4-8,12,16H,2-3,9-11H2,1H3,(H,17,18)
InChIKeyKSSNGPGOFHBGIX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.21
Rot. Bonds8

About butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid

butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid (PubChem CID 173251132) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid.

Molecular Properties

Compound Namebutyl-(2-hydroxy-3-phenoxypropyl)carbamic acid
PubChem CID173251132
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namebutyl-(2-hydroxy-3-phenoxypropyl)carbamic acid
SMILESCCCCN(CC(O)COc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-2-3-9-15(14(17)18)10-12(16)11-19-13-7-5-4-6-8-13/h4-8,12,16H,2-3,9-11H2,1H3,(H,17,18)
InChIKeyKSSNGPGOFHBGIX-UHFFFAOYSA-N
XLogP2.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-phenoxyacetamide
CID 4074500
1-phenoxyheptan-2-ol
CID 12731443
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
1-phenoxytetradecan-2-ol
CID 11609222
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
ethyl 4-[2-hydroxy-3-[methyl(3-phenoxypropyl)amino]propoxy]benzoate
CID 55648671
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796
N,N-dibutyl-2-phenoxybutanamide
CID 3492483
(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol
CID 2102012
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291

Frequently Asked Questions

What is the IUPAC name of butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid?
The IUPAC name of butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid (CID 173251132) is butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid.
What is the SMILES notation for butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid?
The canonical SMILES for butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid is CCCCN(CC(O)COc1ccccc1)C(=O)O.
What is the InChIKey of butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid?
The InChIKey is KSSNGPGOFHBGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-3-9-15(14(17)18)10-12(16)11-19-13-7-5-4-6-8-13/h4-8,12,16H,2-3,9-11H2,1H3,(H,17,18).
What are the key properties of butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid?
butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid has a molecular weight of 267.32 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid is sourced from PubChem (CID 173251132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).