benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate

C12H18N4O3 — CID 22178708

IUPACbenzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate
SMILESCCCON/C(N)=N\NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N4O3/c1-2-8-19-16-11(13)14-15-12(17)18-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,17)(H3,13,14,16)
InChIKeyKZHPAYUAVXUANV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.07
Rot. Bonds6

About benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate

benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate (PubChem CID 22178708) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate
PubChem CID22178708
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namebenzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate
SMILESCCCON/C(N)=N\NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18N4O3/c1-2-8-19-16-11(13)14-15-12(17)18-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,17)(H3,13,14,16)
InChIKeyKZHPAYUAVXUANV-UHFFFAOYSA-N
XLogP1.07
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate 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

2-benzyl-1-propoxyguanidine
CID 130609795
benzyl N-(3-deuteriopropyl)carbamate
CID 173247351
benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 146162370
benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
CID 146162369
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[methyl(propyl)amino]carbamate
CID 138546931
benzyl N-(N'-propan-2-ylcarbamimidoyl)carbamate;hydrochloride
CID 140974987
benzyl N-[[[amino(methylsulfanyl)methylidene]amino]carbamoyl]carbamate
CID 86755687
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate?
The IUPAC name of benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate (CID 22178708) is benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate.
What is the SMILES notation for benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate?
The canonical SMILES for benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate is CCCON/C(N)=N\NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate?
The InChIKey is KZHPAYUAVXUANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-8-19-16-11(13)14-15-12(17)18-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,17)(H3,13,14,16).
What are the key properties of benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate?
benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(Z)-[amino-(propoxyamino)methylidene]amino]carbamate is sourced from PubChem (CID 22178708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).