N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide

C15H21N3O3 — CID 101365257

IUPACN-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide
SMILESO=CNNC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H21N3O3/c19-11-16-18-15(20)17-13-8-4-5-9-14(13)21-10-12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,19)(H2,17,18,20)/t13-,14-/m0/s1
InChIKeyIHLCMHQNEGISSR-KBPBESRZSA-N
MW291.35 g/mol
LogP1.47
Rot. Bonds6

About N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide

N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide (PubChem CID 101365257) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide
PubChem CID101365257
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide
SMILESO=CNNC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H21N3O3/c19-11-16-18-15(20)17-13-8-4-5-9-14(13)21-10-12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,19)(H2,17,18,20)/t13-,14-/m0/s1
InChIKeyIHLCMHQNEGISSR-KBPBESRZSA-N
XLogP1.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylmethoxycyclohexyl)prop-2-enamide
CID 139017249
tert-butyl N-[(1S,2S)-2-phenylmethoxycyclopentyl]carbamate
CID 58216148
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate;tert-butyl N-[(1S)-2-phenylmethoxycyclohexyl]carbamate
CID 158364614
(2S)-2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 58651111
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-phenylmethoxy-N-propan-2-ylcyclohexan-1-amine
CID 21034227
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide
CID 77080730
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
cis-(1S,2R)-1-N-[(1S,2S)-2-phenylmethoxycyclohexyl]cyclopentane-1,2-diamine
CID 124857330
1-methyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70782413

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide?
The IUPAC name of N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide (CID 101365257) is N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide.
What is the SMILES notation for N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide?
The canonical SMILES for N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide is O=CNNC(=O)N[C@H]1CCCC[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide?
The InChIKey is IHLCMHQNEGISSR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-11-16-18-15(20)17-13-8-4-5-9-14(13)21-10-12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,19)(H2,17,18,20)/t13-,14-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide?
N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide has a molecular weight of 291.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoylamino]formamide is sourced from PubChem (CID 101365257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).