tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide

C14H30N2O4 — CID 143350674

IUPACtert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide
SMILESCCC(C)CC(NC(=O)OC(C)(C)C)C(C)O.NC=O
InChIInChI=1S/C13H27NO3.CH3NO/c1-7-9(2)8-11(10(3)15)14-12(16)17-13(4,5)6;2-1-3/h9-11,15H,7-8H2,1-6H3,(H,14,16);1H,(H2,2,3)
InChIKeyWAMOFOHPTRESQA-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.80
Rot. Bonds5

About tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide

tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide (PubChem CID 143350674) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide
PubChem CID143350674
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide
SMILESCCC(C)CC(NC(=O)OC(C)(C)C)C(C)O.NC=O
InChIInChI=1S/C13H27NO3.CH3NO/c1-7-9(2)8-11(10(3)15)14-12(16)17-13(4,5)6;2-1-3/h9-11,15H,7-8H2,1-6H3,(H,14,16);1H,(H2,2,3)
InChIKeyWAMOFOHPTRESQA-UHFFFAOYSA-N
XLogP1.80
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
CID 171802376
tert-butyl N-(1-amino-2-hydroxy-1-oxopentan-3-yl)carbamate
CID 143352872
tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate
CID 75091028
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154
ethyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 22662602
tert-butyl N-[(2R,3S)-1-amino-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 57207813
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide?
The IUPAC name of tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide (CID 143350674) is tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide.
What is the SMILES notation for tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide?
The canonical SMILES for tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide is CCC(C)CC(NC(=O)OC(C)(C)C)C(C)O.NC=O.
What is the InChIKey of tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide?
The InChIKey is WAMOFOHPTRESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3.CH3NO/c1-7-9(2)8-11(10(3)15)14-12(16)17-13(4,5)6;2-1-3/h9-11,15H,7-8H2,1-6H3,(H,14,16);1H,(H2,2,3).
What are the key properties of tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide?
tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide has a molecular weight of 290.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-5-methylheptan-3-yl)carbamate;formamide is sourced from PubChem (CID 143350674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).